2-[[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C18H15N4O5- MolecularWeight: 367.3355

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O5/c1-21-18(25)14-5-3-2-4-13(14)15(20-21)9-17(24)19-10-11-8-12(22(26)27)6-7-16(11)23/h2-8,23H,9-10H2,1H3,(H,19,24)/p-1